SCHEMBL9565131

SCHEMBL9565131

O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](OC(=O)OCCc2ccc([N+](=O)[O-])cc2)[C@@H](CO)O1)OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 9/20 0.58
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
ABCC4 O15439 1/20 0.42
SLC28A3 Q9HAS3 1/20 0.42
BLM P54132 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8914683 0.87 SLC29A1 (0.60) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL7644579 0.79 SLC29A1 (0.52) SLC29A1
SCHEMBL8913216 0.78 SLC29A1 (0.57) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL8913219 0.78 SLC29A1 (0.57) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL9228567 0.76 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL9228575 0.76 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL7710228 0.75 SLC29A1 (0.48) SLC29A1
SCHEMBL7644531 0.74 SLC29A1 (0.56) SLC29A1
SCHEMBL7710528 0.73 SLC29A1 (0.41) SLC29A1
SCHEMBL8591327 0.73 SLC29A1 (0.49) SLC29A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567841-A2 Fluorescently marked compounds, their preparation and use MERCK PATENT GmbH (DE) 1993-11-03 EP disclosed